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(Q60998694)
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English
aflatoxin B1 triol
chemical compound
aflatoxin B1 trialcohol
AFBDOH
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Statements
instance of
type of chemical entity
0 references
subclass of
aflatoxins
0 references
mass
350.1001675359999
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₇H₁₈O₈
0 references
canonical SMILES
COc1cc(O)c(C(CO)C(O)CO)c2oc(=O)c3C(=O)CCc3c12
0 references
Identifiers
InChI
InChI=1S/C17H18O8/c1-24-12-4-10(21)13(8(5-18)11(22)6-19)16-15(12)7-2-3-9(20)14(7)17(23)25-16/h4,8,11,18-19,21-22H,2-3,5-6H2,1H3
0 references
InChIKey
OKGOPKLFGPTQFQ-UHFFFAOYSA-N
1 reference
stated in
ChEBI release 2020-09-01
PubChem CID
53297445
1 reference
matched by identifier from
InChIKey
InChIKey
OKGOPKLFGPTQFQ-UHFFFAOYSA-N
ChEBI ID
53108
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C17H18O8/c1-24-12-4-10(21)13(8(5-18)11(22)6-19)16-15(12)7-2-3-9(20)14(7)17(23)25-16/h4,8,11,18-19,21-22H,2-3,5-6H2,1H3
82581
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C17H18O8/c1-24-12-4-10(21)13(8(5-18)11(22)6-19)16-15(12)7-2-3-9(20)14(7)17(23)25-16/h4,8,11,18-19,21-22H,2-3,5-6H2,1H3
UniChem compound ID
1068447
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0062427
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OKGOPKLFGPTQFQ-UHFFFAOYSA-N
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